tert-butyl 2-[2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3,4-dihydro-1,4-benzodiazepin-5-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 2-[2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3,4-dihydro-1,4-benzodiazepin-5-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 2-[3-(benzyloxycarbonylamino)-2-oxo-3,4-dihydro-1,4-benzodiazepin-5-yl]piperidine-1-carboxylate CAS Name: 2-[2-oxo-3-(phenylmethoxycarbonylamino)-3,4-dihydro-1,4-benzodiazepin-5-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-oxo-3-(phenylmethoxycarbonylamino)-3,4-dihydro-1,4-benzodiazepin-5-yl]piperidine-1-carboxylate Traditional Name: 2-[3-(benzyloxycarbonylamino)-2-keto-3,4-dihydro-1,4-benzodiazepin-5-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H32N4O5 MolecularWeight: 492.56678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCC1C2=C3C=CC=CC3=NC(=O)C(N2)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCCC1C2=C3C=CC=CC3=NC(=O)C(N2)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O5/c1-27(2,3)36-26(34)31-16-10-9-15-21(31)22-19-13-7-8-14-20(19)28-24(32)23(29-22)30-25(33)35-17-18-11-5-4-6-12-18/h4-8,11-14,21,23,29H,9-10,15-17H2,1-3H3,(H,30,33)